EasySpin forum

Hi everyone,
I try to simulate a RT, fast-motion CW spectrum with a system containing 1 nitrogen atom and 12 equivalent protons.
(Sys.Nucs = '14N,1H', Sys.n = [1,12])

garlic is not working for that, since it's only for exactly one electron and for multiple equivalent nuclei, but not for multiple different nuclei, right?
(For this number of nuclei it's possible for me to simulate by treating all nuclei as non-equivalent (Sys.Nucs = '14N,1H,1H,1H,1H,1H,1H,1H,1H,1H,1H,1H,1H'), but I would like to test including more nuclei and then I get a memory problem of my computer.)

chili is also not possible, because there are too many nuclei.

pepper cannot simulate a fast motion with a correlation time of about 90ps, right?

Does anybody have an idea which function I could use to simulate my spectrum?

Thanks in advance!

Try function for chemical exchange from file exchange.

For the function exchange there is no correlation time included, right?

Yes, of course. the function exchange operates by rate constants instead of lifetimes (or correlation time). Just use rate constants.
Also, the function chili may be used if thumbling effect on hydrogen nuclei may be neglected. Use Opt.PostConvNucs field to exclude the unwanted nuclei.